SCHEMBL178494

SCHEMBL178494

CNC(C)c1csc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.49
MAPT P10636 2/20 0.47
PKM P14618 1/20 0.41
SLC6A4 P31645 4/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A3 Q01959 1/20 0.40
CYP2A6 P11509 3/20 0.40
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
CMA1 P23946 1/20 0.38
HSD17B2 P37059 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL717441 0.80 ALOX5 (0.54) ALOX5MAPTPKMSLC6A4SLC6A2
SCHEMBL4603703 0.80 ALOX5 (0.48) ALOX5MAPTPKMSLC6A4SLC6A2
SCHEMBL5690322 0.78 PKM (0.54) ALOX5MAPTPKMCYP2A6HDAC3
SCHEMBL3742330 0.78 ALOX5 (0.41) ALOX5MAPTPKMSLC6A4SLC6A2
SCHEMBL13041056 0.78 ALOX5 (0.41) ALOX5MAPTPKMSLC6A4SLC6A2
SCHEMBL4285747 0.77 CA2 (0.51) ALOX5MAPTPKMSLC6A4SLC6A2
SCHEMBL24406257 0.77 ALOX5 (0.55) ALOX5MAPTPKMSLC6A4SLC6A2
SCHEMBL2977121 0.77 ALOX5 (0.51) ALOX5MAPTPKMSLC6A4SLC6A2
SCHEMBL1105793 0.77 ALOX5 (0.55) ALOX5MAPTPKMSLC6A4SLC6A2
SCHEMBL1095514 0.77 ALOX5 (0.55) ALOX5MAPTPKMSLC6A4SLC6A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883824-B2 3-(4-aminophenyl)-2-furancarboxylic acid derivative and pharmaceutically acceptable salt thereof SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-11-11 US disclosed
US-20120059012-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-03-08 US disclosed
US-20080090847-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AS D-ALANYL-D-ALANINE LIGASE INHIBITORS PLIVA D.D. (HR) 2008-04-17 US disclosed
US-7345048-B2 Heterocyclic compounds and uses thereof as D-alanyl-D-alanine ligase inhibitors PLIVA D.D. (HR) 2008-03-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120059012-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ACSL3, SLCO4C1, SLC38A7 ALOX5 542/4885MAPT 4636/4885PKM 3806/4885
US-20080090847-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AS D-ALANYL-D-ALANINE LIGASE INHIBITORS AAAS, ALAD, NAALAD2 ALOX5 1696/4885MAPT 4054/4885PKM 1882/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.